N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine

C15H22FN — CID 81016597

IUPACN-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)Cc1cccc(F)c1
InChIInChI=1S/C15H22FN/c1-11(12(2)10-17-15-6-7-15)8-13-4-3-5-14(16)9-13/h3-5,9,11-12,15,17H,6-8,10H2,1-2H3
InChIKeyLNHFLHQLWNJGLG-UHFFFAOYSA-N
MW235.35 g/mol
LogP3.39
Rot. Bonds6

About N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine

N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 81016597) has the molecular formula C15H22FN and a molecular weight of 235.35 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
PubChem CID81016597
Molecular FormulaC15H22FN
Molecular Weight235.35 g/mol
Exact Mass235.17
IUPAC NameN-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)Cc1cccc(F)c1
InChIInChI=1S/C15H22FN/c1-11(12(2)10-17-15-6-7-15)8-13-4-3-5-14(16)9-13/h3-5,9,11-12,15,17H,6-8,10H2,1-2H3
InChIKeyLNHFLHQLWNJGLG-UHFFFAOYSA-N
XLogP3.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134
N-[4-(3-fluoro-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015306
N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine
CID 104737358
N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015086
N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015745
N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine
CID 79430769
N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015413
N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine
CID 62998866
N-[1-(3-fluorophenyl)propan-2-yl]-1-oxothian-4-amine
CID 114830841
N-[2-(3-fluorophenyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086258
N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016605

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine (CID 81016597) is N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine is CC(CNC1CC1)C(C)Cc1cccc(F)c1.
What is the InChIKey of N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is LNHFLHQLWNJGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN/c1-11(12(2)10-17-15-6-7-15)8-13-4-3-5-14(16)9-13/h3-5,9,11-12,15,17H,6-8,10H2,1-2H3.
What are the key properties of N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine has a molecular weight of 235.35 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 81016597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).